USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot 84:sc= 1.23 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0.961 K(o=2.2,f=-5.8!) USER MOD Set 2.1: A 10 THR OG1 : rot -117:sc= 0.243 USER MOD Set 2.2: A 12 CYS SG : rot 180:sc= 0.232 USER MOD Single : A 1 LYS N :NH3+ -156:sc= 1.1 (180deg=0.7) USER MOD Single : A 1 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.2) USER MOD Single : A 4 TYR OH : rot 130:sc= -0.614 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -160:sc= 0.894 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc=-0.00705 K(o=-0.007,f=-0.91) USER MOD Single : A 24 TYR OH : rot -13:sc= 0.81 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0.398 K(o=0.4,f=-2.6!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 79:sc= 0.002 USER MOD Single : A 54 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.00352 K(o=0.0035,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.744 31.221 30.803 1.00 0.00 N ATOM 2 CA LYS A 1 13.744 32.033 31.532 1.00 0.00 C ATOM 3 C LYS A 1 14.738 32.651 30.548 1.00 0.00 C ATOM 4 O LYS A 1 15.007 32.067 29.498 1.00 0.00 O ATOM 5 CB LYS A 1 14.440 31.201 32.630 1.00 0.00 C ATOM 6 CG LYS A 1 15.073 32.091 33.714 1.00 0.00 C ATOM 7 CD LYS A 1 15.780 31.297 34.820 1.00 0.00 C ATOM 8 CE LYS A 1 16.350 32.280 35.851 1.00 0.00 C ATOM 9 NZ LYS A 1 17.129 31.572 36.889 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.877 31.146 31.372 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.524 31.676 29.894 1.00 0.00 H new ATOM 0 H3 LYS A 1 13.128 30.270 30.630 1.00 0.00 H new ATOM 0 HA LYS A 1 13.235 32.852 32.041 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.715 30.529 33.090 1.00 0.00 H new ATOM 0 HB3 LYS A 1 15.211 30.577 32.178 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.790 32.765 33.246 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.297 32.712 34.162 1.00 0.00 H new ATOM 0 HD2 LYS A 1 15.080 30.612 35.299 1.00 0.00 H new ATOM 0 HD3 LYS A 1 16.580 30.690 34.396 1.00 0.00 H new ATOM 0 HE2 LYS A 1 16.986 33.010 35.349 1.00 0.00 H new ATOM 0 HE3 LYS A 1 15.536 32.834 36.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 17.431 32.249 37.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 16.538 30.835 37.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 17.967 31.133 36.456 1.00 0.00 H new ATOM 25 N GLU A 2 15.295 33.814 30.881 1.00 0.00 N ATOM 26 CA GLU A 2 16.323 34.528 30.103 1.00 0.00 C ATOM 27 C GLU A 2 17.649 34.625 30.885 1.00 0.00 C ATOM 28 O GLU A 2 17.635 34.698 32.119 1.00 0.00 O ATOM 29 CB GLU A 2 15.826 35.930 29.704 1.00 0.00 C ATOM 30 CG GLU A 2 14.432 35.953 29.056 1.00 0.00 C ATOM 31 CD GLU A 2 13.965 37.353 28.625 1.00 0.00 C ATOM 32 OE1 GLU A 2 12.726 37.571 28.607 1.00 0.00 O ATOM 33 OE2 GLU A 2 14.799 38.225 28.272 1.00 0.00 O1- ATOM 0 H GLU A 2 15.036 34.310 31.734 1.00 0.00 H new ATOM 0 HA GLU A 2 16.511 33.956 29.195 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.810 36.562 30.592 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.542 36.372 29.011 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.437 35.299 28.184 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.709 35.541 29.760 1.00 0.00 H new ATOM 40 N GLY A 3 18.792 34.633 30.191 1.00 0.00 N ATOM 41 CA GLY A 3 20.116 34.620 30.821 1.00 0.00 C ATOM 42 C GLY A 3 21.289 34.917 29.876 1.00 0.00 C ATOM 43 O GLY A 3 21.144 34.972 28.657 1.00 0.00 O ATOM 0 H GLY A 3 18.825 34.649 29.172 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.125 35.353 31.628 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.275 33.643 31.277 1.00 0.00 H new ATOM 47 N TYR A 4 22.475 35.117 30.451 1.00 0.00 N ATOM 48 CA TYR A 4 23.693 35.512 29.729 1.00 0.00 C ATOM 49 C TYR A 4 24.497 34.281 29.282 1.00 0.00 C ATOM 50 O TYR A 4 24.679 33.352 30.078 1.00 0.00 O ATOM 51 CB TYR A 4 24.514 36.414 30.658 1.00 0.00 C ATOM 52 CG TYR A 4 25.657 37.181 30.020 1.00 0.00 C ATOM 53 CD1 TYR A 4 25.429 38.479 29.522 1.00 0.00 C ATOM 54 CD2 TYR A 4 26.960 36.647 30.006 1.00 0.00 C ATOM 55 CE1 TYR A 4 26.504 39.266 29.067 1.00 0.00 C ATOM 56 CE2 TYR A 4 28.038 37.433 29.549 1.00 0.00 C ATOM 57 CZ TYR A 4 27.816 38.752 29.096 1.00 0.00 C ATOM 58 OH TYR A 4 28.862 39.526 28.700 1.00 0.00 O ATOM 0 H TYR A 4 22.623 35.007 31.454 1.00 0.00 H new ATOM 0 HA TYR A 4 23.434 36.055 28.820 1.00 0.00 H new ATOM 0 HB2 TYR A 4 23.838 37.132 31.121 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.922 35.798 31.459 1.00 0.00 H new ATOM 0 HD1 TYR A 4 24.424 38.873 29.489 1.00 0.00 H new ATOM 0 HD2 TYR A 4 27.134 35.636 30.345 1.00 0.00 H new ATOM 0 HE1 TYR A 4 26.323 40.264 28.696 1.00 0.00 H new ATOM 0 HE2 TYR A 4 29.038 37.024 29.545 1.00 0.00 H new ATOM 0 HH TYR A 4 29.564 39.501 29.383 1.00 0.00 H new ATOM 68 N LEU A 5 24.992 34.256 28.038 1.00 0.00 N ATOM 69 CA LEU A 5 25.738 33.114 27.498 1.00 0.00 C ATOM 70 C LEU A 5 27.223 33.165 27.908 1.00 0.00 C ATOM 71 O LEU A 5 28.000 34.002 27.444 1.00 0.00 O ATOM 72 CB LEU A 5 25.505 33.029 25.971 1.00 0.00 C ATOM 73 CG LEU A 5 25.709 31.655 25.293 1.00 0.00 C ATOM 74 CD1 LEU A 5 27.168 31.264 25.102 1.00 0.00 C ATOM 75 CD2 LEU A 5 25.014 30.518 26.037 1.00 0.00 C ATOM 0 H LEU A 5 24.886 35.027 27.378 1.00 0.00 H new ATOM 0 HA LEU A 5 25.365 32.186 27.931 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.485 33.356 25.768 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.171 33.744 25.489 1.00 0.00 H new ATOM 0 HG LEU A 5 25.255 31.793 24.312 1.00 0.00 H new ATOM 0 HD11 LEU A 5 27.223 30.288 24.620 1.00 0.00 H new ATOM 0 HD12 LEU A 5 27.665 32.006 24.477 1.00 0.00 H new ATOM 0 HD13 LEU A 5 27.662 31.218 26.072 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.193 29.578 25.514 1.00 0.00 H new ATOM 0 HD22 LEU A 5 25.410 30.451 27.050 1.00 0.00 H new ATOM 0 HD23 LEU A 5 23.942 30.712 26.079 1.00 0.00 H new ATOM 87 N VAL A 6 27.612 32.231 28.779 1.00 0.00 N ATOM 88 CA VAL A 6 28.983 32.025 29.280 1.00 0.00 C ATOM 89 C VAL A 6 29.401 30.567 29.072 1.00 0.00 C ATOM 90 O VAL A 6 28.551 29.681 28.948 1.00 0.00 O ATOM 91 CB VAL A 6 29.096 32.473 30.754 1.00 0.00 C ATOM 92 CG1 VAL A 6 28.517 31.445 31.733 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.544 32.759 31.164 1.00 0.00 C ATOM 0 H VAL A 6 26.952 31.563 29.176 1.00 0.00 H new ATOM 0 HA VAL A 6 29.676 32.645 28.712 1.00 0.00 H new ATOM 0 HB VAL A 6 28.510 33.390 30.811 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.624 31.814 32.753 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.461 31.288 31.513 1.00 0.00 H new ATOM 0 HG13 VAL A 6 29.054 30.502 31.630 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.572 33.070 32.208 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.143 31.857 31.038 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.949 33.554 30.538 1.00 0.00 H new ATOM 103 N ASP A 7 30.701 30.296 29.007 1.00 0.00 N ATOM 104 CA ASP A 7 31.206 28.949 28.737 1.00 0.00 C ATOM 105 C ASP A 7 30.988 27.963 29.900 1.00 0.00 C ATOM 106 O ASP A 7 30.994 28.337 31.072 1.00 0.00 O ATOM 107 CB ASP A 7 32.691 29.026 28.352 1.00 0.00 C ATOM 108 CG ASP A 7 33.110 27.929 27.378 1.00 0.00 C ATOM 109 OD1 ASP A 7 34.319 27.626 27.326 1.00 0.00 O ATOM 110 OD2 ASP A 7 32.262 27.419 26.610 1.00 0.00 O1- ATOM 0 H ASP A 7 31.431 30.996 29.138 1.00 0.00 H new ATOM 0 HA ASP A 7 30.626 28.550 27.905 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.895 29.999 27.905 1.00 0.00 H new ATOM 0 HB3 ASP A 7 33.299 28.956 29.254 1.00 0.00 H new ATOM 115 N TYR A 8 30.849 26.671 29.588 1.00 0.00 N ATOM 116 CA TYR A 8 30.708 25.621 30.609 1.00 0.00 C ATOM 117 C TYR A 8 32.002 25.382 31.418 1.00 0.00 C ATOM 118 O TYR A 8 31.940 24.970 32.580 1.00 0.00 O ATOM 119 CB TYR A 8 30.186 24.323 29.970 1.00 0.00 C ATOM 120 CG TYR A 8 30.910 23.850 28.719 1.00 0.00 C ATOM 121 CD1 TYR A 8 32.137 23.165 28.821 1.00 0.00 C ATOM 122 CD2 TYR A 8 30.326 24.054 27.453 1.00 0.00 C ATOM 123 CE1 TYR A 8 32.791 22.709 27.660 1.00 0.00 C ATOM 124 CE2 TYR A 8 30.971 23.589 26.290 1.00 0.00 C ATOM 125 CZ TYR A 8 32.210 22.920 26.391 1.00 0.00 C ATOM 126 OH TYR A 8 32.831 22.445 25.277 1.00 0.00 O ATOM 0 H TYR A 8 30.831 26.322 28.630 1.00 0.00 H new ATOM 0 HA TYR A 8 29.973 25.973 31.333 1.00 0.00 H new ATOM 0 HB2 TYR A 8 30.237 23.530 30.716 1.00 0.00 H new ATOM 0 HB3 TYR A 8 29.133 24.462 29.724 1.00 0.00 H new ATOM 0 HD1 TYR A 8 32.577 22.989 29.792 1.00 0.00 H new ATOM 0 HD2 TYR A 8 29.380 24.569 27.374 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.739 22.197 27.741 1.00 0.00 H new ATOM 0 HE2 TYR A 8 30.518 23.744 25.322 1.00 0.00 H new ATOM 0 HH TYR A 8 32.301 22.673 24.485 1.00 0.00 H new ATOM 136 N HIS A 9 33.172 25.668 30.834 1.00 0.00 N ATOM 137 CA HIS A 9 34.491 25.407 31.435 1.00 0.00 C ATOM 138 C HIS A 9 35.131 26.625 32.131 1.00 0.00 C ATOM 139 O HIS A 9 36.007 26.456 32.980 1.00 0.00 O ATOM 140 CB HIS A 9 35.395 24.841 30.327 1.00 0.00 C ATOM 141 CG HIS A 9 36.623 24.114 30.815 1.00 0.00 C ATOM 142 ND1 HIS A 9 37.904 24.661 30.918 1.00 0.00 N ATOM 143 CD2 HIS A 9 36.669 22.799 31.187 1.00 0.00 C ATOM 144 CE1 HIS A 9 38.697 23.654 31.329 1.00 0.00 C ATOM 145 NE2 HIS A 9 37.985 22.529 31.498 1.00 0.00 N ATOM 0 H HIS A 9 33.232 26.097 29.910 1.00 0.00 H new ATOM 0 HA HIS A 9 34.363 24.690 32.246 1.00 0.00 H new ATOM 0 HB2 HIS A 9 34.807 24.159 29.713 1.00 0.00 H new ATOM 0 HB3 HIS A 9 35.709 25.661 29.681 1.00 0.00 H new ATOM 0 HD2 HIS A 9 35.839 22.109 31.229 1.00 0.00 H new ATOM 0 HE1 HIS A 9 39.760 23.740 31.499 1.00 0.00 H new ATOM 0 HE2 HIS A 9 38.354 21.629 31.804 1.00 0.00 H new ATOM 153 N THR A 10 34.702 27.853 31.818 1.00 0.00 N ATOM 154 CA THR A 10 35.375 29.107 32.222 1.00 0.00 C ATOM 155 C THR A 10 34.418 30.313 32.195 1.00 0.00 C ATOM 156 O THR A 10 33.382 30.262 31.537 1.00 0.00 O ATOM 157 CB THR A 10 36.601 29.327 31.310 1.00 0.00 C ATOM 158 OG1 THR A 10 37.294 30.510 31.631 1.00 0.00 O ATOM 159 CG2 THR A 10 36.261 29.403 29.818 1.00 0.00 C ATOM 0 H THR A 10 33.860 28.013 31.265 1.00 0.00 H new ATOM 0 HA THR A 10 35.706 29.015 33.256 1.00 0.00 H new ATOM 0 HB THR A 10 37.218 28.447 31.493 1.00 0.00 H new ATOM 0 HG1 THR A 10 37.266 31.123 30.867 1.00 0.00 H new ATOM 0 HG21 THR A 10 37.175 29.559 29.244 1.00 0.00 H new ATOM 0 HG22 THR A 10 35.790 28.472 29.504 1.00 0.00 H new ATOM 0 HG23 THR A 10 35.577 30.233 29.643 1.00 0.00 H new ATOM 167 N GLY A 11 34.726 31.416 32.885 1.00 0.00 N ATOM 168 CA GLY A 11 33.887 32.628 32.935 1.00 0.00 C ATOM 169 C GLY A 11 33.908 33.519 31.678 1.00 0.00 C ATOM 170 O GLY A 11 33.438 34.657 31.725 1.00 0.00 O ATOM 0 H GLY A 11 35.580 31.498 33.436 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.857 32.325 33.124 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.203 33.229 33.787 1.00 0.00 H new ATOM 174 N CYS A 12 34.474 33.041 30.568 1.00 0.00 N ATOM 175 CA CYS A 12 34.584 33.775 29.307 1.00 0.00 C ATOM 176 C CYS A 12 33.211 34.059 28.662 1.00 0.00 C ATOM 177 O CYS A 12 32.494 33.140 28.249 1.00 0.00 O ATOM 178 CB CYS A 12 35.478 32.973 28.353 1.00 0.00 C ATOM 179 SG CYS A 12 37.191 32.718 28.887 1.00 0.00 S ATOM 0 H CYS A 12 34.880 32.106 30.521 1.00 0.00 H new ATOM 0 HA CYS A 12 35.027 34.749 29.513 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.020 31.997 28.193 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.492 33.480 27.388 1.00 0.00 H new ATOM 0 HG CYS A 12 37.827 32.026 27.989 1.00 0.00 H new ATOM 184 N LYS A 13 32.874 35.350 28.539 1.00 0.00 N ATOM 185 CA LYS A 13 31.698 35.874 27.818 1.00 0.00 C ATOM 186 C LYS A 13 31.754 35.576 26.313 1.00 0.00 C ATOM 187 O LYS A 13 32.840 35.517 25.734 1.00 0.00 O ATOM 188 CB LYS A 13 31.571 37.391 28.088 1.00 0.00 C ATOM 189 CG LYS A 13 32.755 38.228 27.556 1.00 0.00 C ATOM 190 CD LYS A 13 32.870 39.617 28.206 1.00 0.00 C ATOM 191 CE LYS A 13 31.865 40.652 27.688 1.00 0.00 C ATOM 192 NZ LYS A 13 31.998 41.927 28.435 1.00 0.00 N1+ ATOM 0 H LYS A 13 33.435 36.092 28.956 1.00 0.00 H new ATOM 0 HA LYS A 13 30.811 35.364 28.192 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.650 37.754 27.633 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.480 37.552 29.162 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.682 37.679 27.725 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.648 38.349 26.478 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.739 39.511 29.283 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.879 39.997 28.043 1.00 0.00 H new ATOM 0 HE2 LYS A 13 32.031 40.828 26.625 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.851 40.267 27.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 31.310 42.616 28.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 31.817 41.758 29.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 32.960 42.302 28.313 1.00 0.00 H new ATOM 206 N TYR A 14 30.594 35.433 25.670 1.00 0.00 N ATOM 207 CA TYR A 14 30.472 35.323 24.209 1.00 0.00 C ATOM 208 C TYR A 14 29.950 36.635 23.607 1.00 0.00 C ATOM 209 O TYR A 14 28.775 36.983 23.755 1.00 0.00 O ATOM 210 CB TYR A 14 29.592 34.124 23.851 1.00 0.00 C ATOM 211 CG TYR A 14 30.307 32.798 24.035 1.00 0.00 C ATOM 212 CD1 TYR A 14 31.003 32.228 22.950 1.00 0.00 C ATOM 213 CD2 TYR A 14 30.298 32.146 25.283 1.00 0.00 C ATOM 214 CE1 TYR A 14 31.669 31.000 23.110 1.00 0.00 C ATOM 215 CE2 TYR A 14 30.938 30.902 25.432 1.00 0.00 C ATOM 216 CZ TYR A 14 31.625 30.326 24.346 1.00 0.00 C ATOM 217 OH TYR A 14 32.265 29.133 24.480 1.00 0.00 O ATOM 0 H TYR A 14 29.697 35.389 26.154 1.00 0.00 H new ATOM 0 HA TYR A 14 31.457 35.151 23.774 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.696 34.138 24.471 1.00 0.00 H new ATOM 0 HB3 TYR A 14 29.264 34.215 22.815 1.00 0.00 H new ATOM 0 HD1 TYR A 14 31.025 32.734 21.996 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.800 32.601 26.126 1.00 0.00 H new ATOM 0 HE1 TYR A 14 32.216 30.572 22.283 1.00 0.00 H new ATOM 0 HE2 TYR A 14 30.902 30.388 26.381 1.00 0.00 H new ATOM 0 HH TYR A 14 31.896 28.648 25.248 1.00 0.00 H new ATOM 227 N THR A 15 30.842 37.382 22.951 1.00 0.00 N ATOM 228 CA THR A 15 30.567 38.717 22.397 1.00 0.00 C ATOM 229 C THR A 15 29.799 38.692 21.068 1.00 0.00 C ATOM 230 O THR A 15 29.805 37.702 20.325 1.00 0.00 O ATOM 231 CB THR A 15 31.852 39.548 22.241 1.00 0.00 C ATOM 232 OG1 THR A 15 32.718 38.973 21.290 1.00 0.00 O ATOM 233 CG2 THR A 15 32.621 39.700 23.552 1.00 0.00 C ATOM 0 H THR A 15 31.799 37.071 22.785 1.00 0.00 H new ATOM 0 HA THR A 15 29.918 39.194 23.131 1.00 0.00 H new ATOM 0 HB THR A 15 31.524 40.533 21.910 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.526 39.522 21.209 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.518 40.295 23.381 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.990 40.198 24.288 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.905 38.715 23.924 1.00 0.00 H new ATOM 241 N CYS A 16 29.147 39.816 20.762 1.00 0.00 N ATOM 242 CA CYS A 16 28.456 40.090 19.503 1.00 0.00 C ATOM 243 C CYS A 16 29.163 41.200 18.716 1.00 0.00 C ATOM 244 O CYS A 16 29.556 42.221 19.281 1.00 0.00 O ATOM 245 CB CYS A 16 27.002 40.480 19.780 1.00 0.00 C ATOM 246 SG CYS A 16 25.957 39.167 20.460 1.00 0.00 S ATOM 0 H CYS A 16 29.084 40.595 21.417 1.00 0.00 H new ATOM 0 HA CYS A 16 28.475 39.184 18.897 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.996 41.321 20.474 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.555 40.831 18.850 1.00 0.00 H new ATOM 251 N ALA A 17 29.254 41.023 17.398 1.00 0.00 N ATOM 252 CA ALA A 17 29.787 42.017 16.470 1.00 0.00 C ATOM 253 C ALA A 17 28.854 43.234 16.310 1.00 0.00 C ATOM 254 O ALA A 17 29.329 44.335 16.013 1.00 0.00 O ATOM 255 CB ALA A 17 30.016 41.302 15.134 1.00 0.00 C ATOM 0 H ALA A 17 28.952 40.165 16.937 1.00 0.00 H new ATOM 0 HA ALA A 17 30.721 42.424 16.857 1.00 0.00 H new ATOM 0 HB1 ALA A 17 30.416 42.009 14.407 1.00 0.00 H new ATOM 0 HB2 ALA A 17 30.725 40.486 15.275 1.00 0.00 H new ATOM 0 HB3 ALA A 17 29.070 40.902 14.769 1.00 0.00 H new ATOM 261 N LYS A 18 27.543 43.053 16.538 1.00 0.00 N ATOM 262 CA LYS A 18 26.523 44.109 16.463 1.00 0.00 C ATOM 263 C LYS A 18 25.365 43.879 17.442 1.00 0.00 C ATOM 264 O LYS A 18 24.998 42.740 17.730 1.00 0.00 O ATOM 265 CB LYS A 18 26.001 44.195 15.010 1.00 0.00 C ATOM 266 CG LYS A 18 25.604 45.615 14.579 1.00 0.00 C ATOM 267 CD LYS A 18 26.843 46.499 14.359 1.00 0.00 C ATOM 268 CE LYS A 18 26.470 47.898 13.860 1.00 0.00 C ATOM 269 NZ LYS A 18 27.687 48.675 13.529 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.154 42.143 16.786 1.00 0.00 H new ATOM 0 HA LYS A 18 26.986 45.052 16.754 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.770 43.822 14.334 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.138 43.538 14.904 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.020 45.568 13.660 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.965 46.063 15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.398 46.584 15.293 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.505 46.021 13.637 1.00 0.00 H new ATOM 0 HE2 LYS A 18 25.832 47.818 12.980 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.895 48.421 14.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 27.414 49.621 13.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.281 48.767 14.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 28.221 48.183 12.784 1.00 0.00 H new ATOM 283 N LEU A 19 24.772 44.960 17.945 1.00 0.00 N ATOM 284 CA LEU A 19 23.516 44.916 18.701 1.00 0.00 C ATOM 285 C LEU A 19 22.330 44.605 17.767 1.00 0.00 C ATOM 286 O LEU A 19 22.392 44.804 16.549 1.00 0.00 O ATOM 287 CB LEU A 19 23.304 46.238 19.466 1.00 0.00 C ATOM 288 CG LEU A 19 24.418 46.611 20.464 1.00 0.00 C ATOM 289 CD1 LEU A 19 24.102 47.960 21.111 1.00 0.00 C ATOM 290 CD2 LEU A 19 24.583 45.574 21.580 1.00 0.00 C ATOM 0 H LEU A 19 25.151 45.901 17.840 1.00 0.00 H new ATOM 0 HA LEU A 19 23.575 44.112 19.434 1.00 0.00 H new ATOM 0 HB2 LEU A 19 23.204 47.046 18.741 1.00 0.00 H new ATOM 0 HB3 LEU A 19 22.360 46.177 20.008 1.00 0.00 H new ATOM 0 HG LEU A 19 25.346 46.652 19.895 1.00 0.00 H new ATOM 0 HD11 LEU A 19 24.892 48.220 21.816 1.00 0.00 H new ATOM 0 HD12 LEU A 19 24.037 48.727 20.340 1.00 0.00 H new ATOM 0 HD13 LEU A 19 23.151 47.896 21.640 1.00 0.00 H new ATOM 0 HD21 LEU A 19 25.381 45.888 22.253 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.650 45.488 22.138 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.835 44.607 21.144 1.00 0.00 H new ATOM 302 N GLY A 20 21.235 44.101 18.338 1.00 0.00 N ATOM 303 CA GLY A 20 20.004 43.780 17.608 1.00 0.00 C ATOM 304 C GLY A 20 20.010 42.461 16.821 1.00 0.00 C ATOM 305 O GLY A 20 18.932 41.964 16.488 1.00 0.00 O ATOM 0 H GLY A 20 21.176 43.901 19.336 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.180 43.750 18.321 1.00 0.00 H new ATOM 0 HA3 GLY A 20 19.795 44.593 16.913 1.00 0.00 H new ATOM 309 N ASP A 21 21.171 41.845 16.563 1.00 0.00 N ATOM 310 CA ASP A 21 21.242 40.498 15.976 1.00 0.00 C ATOM 311 C ASP A 21 20.485 39.476 16.845 1.00 0.00 C ATOM 312 O ASP A 21 20.755 39.348 18.040 1.00 0.00 O ATOM 313 CB ASP A 21 22.696 40.014 15.817 1.00 0.00 C ATOM 314 CG ASP A 21 23.544 40.655 14.714 1.00 0.00 C ATOM 315 OD1 ASP A 21 24.748 40.317 14.638 1.00 0.00 O ATOM 316 OD2 ASP A 21 23.004 41.395 13.853 1.00 0.00 O1- ATOM 0 H ASP A 21 22.082 42.262 16.753 1.00 0.00 H new ATOM 0 HA ASP A 21 20.779 40.569 14.992 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.207 40.171 16.767 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.674 38.939 15.641 1.00 0.00 H new ATOM 321 N ASN A 22 19.566 38.713 16.249 1.00 0.00 N ATOM 322 CA ASN A 22 18.896 37.581 16.895 1.00 0.00 C ATOM 323 C ASN A 22 19.634 36.273 16.598 1.00 0.00 C ATOM 324 O ASN A 22 20.272 35.684 17.471 1.00 0.00 O ATOM 325 CB ASN A 22 17.418 37.511 16.463 1.00 0.00 C ATOM 326 CG ASN A 22 16.611 38.717 16.897 1.00 0.00 C ATOM 327 OD1 ASN A 22 16.228 38.837 18.051 1.00 0.00 O ATOM 328 ND2 ASN A 22 16.314 39.627 16.002 1.00 0.00 N ATOM 0 H ASN A 22 19.261 38.867 15.288 1.00 0.00 H new ATOM 0 HA ASN A 22 18.919 37.731 17.974 1.00 0.00 H new ATOM 0 HB2 ASN A 22 17.367 37.420 15.378 1.00 0.00 H new ATOM 0 HB3 ASN A 22 16.967 36.611 16.880 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.760 40.441 16.267 1.00 0.00 H new ATOM 0 HD22 ASN A 22 16.637 39.521 15.040 1.00 0.00 H new ATOM 335 N ASP A 23 19.591 35.836 15.337 1.00 0.00 N ATOM 336 CA ASP A 23 20.024 34.496 14.923 1.00 0.00 C ATOM 337 C ASP A 23 21.529 34.220 15.102 1.00 0.00 C ATOM 338 O ASP A 23 21.906 33.057 15.252 1.00 0.00 O ATOM 339 CB ASP A 23 19.534 34.175 13.502 1.00 0.00 C ATOM 340 CG ASP A 23 20.206 34.945 12.366 1.00 0.00 C ATOM 341 OD1 ASP A 23 20.761 36.045 12.574 1.00 0.00 O ATOM 342 OD2 ASP A 23 20.167 34.435 11.219 1.00 0.00 O1- ATOM 0 H ASP A 23 19.251 36.408 14.564 1.00 0.00 H new ATOM 0 HA ASP A 23 19.546 33.804 15.616 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.675 33.109 13.324 1.00 0.00 H new ATOM 0 HB3 ASP A 23 18.462 34.366 13.458 1.00 0.00 H new ATOM 347 N TYR A 24 22.368 35.261 15.188 1.00 0.00 N ATOM 348 CA TYR A 24 23.784 35.165 15.585 1.00 0.00 C ATOM 349 C TYR A 24 23.930 34.545 16.981 1.00 0.00 C ATOM 350 O TYR A 24 24.762 33.664 17.193 1.00 0.00 O ATOM 351 CB TYR A 24 24.409 36.576 15.571 1.00 0.00 C ATOM 352 CG TYR A 24 25.840 36.694 16.082 1.00 0.00 C ATOM 353 CD1 TYR A 24 26.101 36.742 17.467 1.00 0.00 C ATOM 354 CD2 TYR A 24 26.912 36.815 15.175 1.00 0.00 C ATOM 355 CE1 TYR A 24 27.419 36.862 17.946 1.00 0.00 C ATOM 356 CE2 TYR A 24 28.233 36.960 15.652 1.00 0.00 C ATOM 357 CZ TYR A 24 28.493 36.974 17.040 1.00 0.00 C ATOM 358 OH TYR A 24 29.763 37.130 17.501 1.00 0.00 O ATOM 0 H TYR A 24 22.077 36.216 14.979 1.00 0.00 H new ATOM 0 HA TYR A 24 24.301 34.519 14.876 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.381 36.951 14.548 1.00 0.00 H new ATOM 0 HB3 TYR A 24 23.778 37.234 16.169 1.00 0.00 H new ATOM 0 HD1 TYR A 24 25.281 36.686 18.168 1.00 0.00 H new ATOM 0 HD2 TYR A 24 26.722 36.797 14.112 1.00 0.00 H new ATOM 0 HE1 TYR A 24 27.608 36.868 19.009 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.049 37.061 14.952 1.00 0.00 H new ATOM 0 HH TYR A 24 29.740 37.355 18.454 1.00 0.00 H new ATOM 368 N CYS A 25 23.111 35.006 17.932 1.00 0.00 N ATOM 369 CA CYS A 25 23.099 34.525 19.312 1.00 0.00 C ATOM 370 C CYS A 25 22.292 33.228 19.447 1.00 0.00 C ATOM 371 O CYS A 25 22.759 32.307 20.111 1.00 0.00 O ATOM 372 CB CYS A 25 22.586 35.651 20.218 1.00 0.00 C ATOM 373 SG CYS A 25 22.283 35.212 21.948 1.00 0.00 S ATOM 0 H CYS A 25 22.424 35.740 17.757 1.00 0.00 H new ATOM 0 HA CYS A 25 24.110 34.267 19.627 1.00 0.00 H new ATOM 0 HB2 CYS A 25 23.309 36.466 20.193 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.658 36.035 19.795 1.00 0.00 H new ATOM 378 N VAL A 26 21.160 33.078 18.738 1.00 0.00 N ATOM 379 CA VAL A 26 20.415 31.798 18.695 1.00 0.00 C ATOM 380 C VAL A 26 21.333 30.643 18.269 1.00 0.00 C ATOM 381 O VAL A 26 21.282 29.577 18.886 1.00 0.00 O ATOM 382 CB VAL A 26 19.182 31.867 17.770 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.400 30.547 17.741 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.187 32.955 18.186 1.00 0.00 C ATOM 0 H VAL A 26 20.737 33.824 18.186 1.00 0.00 H new ATOM 0 HA VAL A 26 20.055 31.611 19.707 1.00 0.00 H new ATOM 0 HB VAL A 26 19.597 32.092 16.787 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.542 30.647 17.076 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.048 29.748 17.380 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.054 30.307 18.746 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.341 32.956 17.499 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.833 32.757 19.198 1.00 0.00 H new ATOM 0 HG23 VAL A 26 18.678 33.928 18.158 1.00 0.00 H new ATOM 394 N ARG A 27 22.234 30.870 17.296 1.00 0.00 N ATOM 395 CA ARG A 27 23.263 29.900 16.872 1.00 0.00 C ATOM 396 C ARG A 27 24.150 29.448 18.032 1.00 0.00 C ATOM 397 O ARG A 27 24.413 28.260 18.168 1.00 0.00 O ATOM 398 CB ARG A 27 24.137 30.496 15.750 1.00 0.00 C ATOM 399 CG ARG A 27 24.664 29.408 14.799 1.00 0.00 C ATOM 400 CD ARG A 27 25.802 29.891 13.883 1.00 0.00 C ATOM 401 NE ARG A 27 25.520 31.166 13.202 1.00 0.00 N ATOM 402 CZ ARG A 27 24.781 31.393 12.136 1.00 0.00 C ATOM 403 NH1 ARG A 27 24.134 30.463 11.493 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 24.699 32.617 11.714 1.00 0.00 N ATOM 0 H ARG A 27 22.269 31.745 16.774 1.00 0.00 H new ATOM 0 HA ARG A 27 22.735 29.023 16.498 1.00 0.00 H new ATOM 0 HB2 ARG A 27 23.556 31.223 15.184 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.978 31.033 16.190 1.00 0.00 H new ATOM 0 HG2 ARG A 27 25.017 28.562 15.388 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.841 29.046 14.183 1.00 0.00 H new ATOM 0 HD2 ARG A 27 26.710 30.000 14.475 1.00 0.00 H new ATOM 0 HD3 ARG A 27 26.001 29.126 13.133 1.00 0.00 H new ATOM 0 HE ARG A 27 25.959 31.989 13.614 1.00 0.00 H new ATOM 0 HH11 ARG A 27 24.184 29.495 11.810 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.578 30.703 10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.197 33.360 12.205 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.137 32.836 10.892 1.00 0.00 H new ATOM 418 N GLU A 28 24.583 30.369 18.892 1.00 0.00 N ATOM 419 CA GLU A 28 25.364 30.023 20.083 1.00 0.00 C ATOM 420 C GLU A 28 24.525 29.288 21.133 1.00 0.00 C ATOM 421 O GLU A 28 24.971 28.253 21.630 1.00 0.00 O ATOM 422 CB GLU A 28 25.992 31.264 20.736 1.00 0.00 C ATOM 423 CG GLU A 28 26.912 32.096 19.833 1.00 0.00 C ATOM 424 CD GLU A 28 27.995 31.286 19.105 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.404 31.726 18.000 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.467 30.239 19.617 1.00 0.00 O1- ATOM 0 H GLU A 28 24.405 31.368 18.786 1.00 0.00 H new ATOM 0 HA GLU A 28 26.155 29.359 19.733 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.190 31.907 21.098 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.562 30.944 21.608 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.302 32.612 19.091 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.395 32.864 20.437 1.00 0.00 H new ATOM 433 N CYS A 29 23.325 29.787 21.454 1.00 0.00 N ATOM 434 CA CYS A 29 22.456 29.215 22.486 1.00 0.00 C ATOM 435 C CYS A 29 22.083 27.759 22.156 1.00 0.00 C ATOM 436 O CYS A 29 22.231 26.880 23.004 1.00 0.00 O ATOM 437 CB CYS A 29 21.186 30.069 22.642 1.00 0.00 C ATOM 438 SG CYS A 29 21.417 31.838 22.963 1.00 0.00 S ATOM 0 H CYS A 29 22.927 30.608 20.999 1.00 0.00 H new ATOM 0 HA CYS A 29 23.004 29.216 23.428 1.00 0.00 H new ATOM 0 HB2 CYS A 29 20.594 29.964 21.733 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.595 29.651 23.457 1.00 0.00 H new ATOM 443 N ARG A 30 21.669 27.489 20.907 1.00 0.00 N ATOM 444 CA ARG A 30 21.230 26.164 20.420 1.00 0.00 C ATOM 445 C ARG A 30 22.371 25.140 20.237 1.00 0.00 C ATOM 446 O ARG A 30 22.107 23.998 19.844 1.00 0.00 O ATOM 447 CB ARG A 30 20.366 26.371 19.154 1.00 0.00 C ATOM 448 CG ARG A 30 21.185 26.438 17.860 1.00 0.00 C ATOM 449 CD ARG A 30 20.520 27.175 16.689 1.00 0.00 C ATOM 450 NE ARG A 30 19.189 26.654 16.310 1.00 0.00 N ATOM 451 CZ ARG A 30 18.740 26.470 15.077 1.00 0.00 C ATOM 452 NH1 ARG A 30 19.478 26.605 14.013 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 17.503 26.143 14.842 1.00 0.00 N ATOM 0 H ARG A 30 21.628 28.207 20.183 1.00 0.00 H new ATOM 0 HA ARG A 30 20.622 25.696 21.194 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.646 25.556 19.078 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.794 27.293 19.261 1.00 0.00 H new ATOM 0 HG2 ARG A 30 22.136 26.924 18.078 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.413 25.420 17.543 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.423 28.229 16.949 1.00 0.00 H new ATOM 0 HD3 ARG A 30 21.178 27.120 15.822 1.00 0.00 H new ATOM 0 HE ARG A 30 18.555 26.413 17.072 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.460 26.866 14.103 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.074 26.450 13.089 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.851 26.022 15.617 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.185 26.008 13.882 1.00 0.00 H new ATOM 467 N LEU A 31 23.623 25.551 20.489 1.00 0.00 N ATOM 468 CA LEU A 31 24.823 24.697 20.494 1.00 0.00 C ATOM 469 C LEU A 31 25.484 24.581 21.884 1.00 0.00 C ATOM 470 O LEU A 31 26.030 23.519 22.204 1.00 0.00 O ATOM 471 CB LEU A 31 25.838 25.230 19.461 1.00 0.00 C ATOM 472 CG LEU A 31 25.375 25.185 17.991 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.418 25.857 17.095 1.00 0.00 C ATOM 474 CD2 LEU A 31 25.185 23.757 17.484 1.00 0.00 C ATOM 0 H LEU A 31 23.837 26.525 20.703 1.00 0.00 H new ATOM 0 HA LEU A 31 24.502 23.691 20.224 1.00 0.00 H new ATOM 0 HB2 LEU A 31 26.081 26.262 19.716 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.759 24.654 19.551 1.00 0.00 H new ATOM 0 HG LEU A 31 24.418 25.706 17.951 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.084 25.821 16.058 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.545 26.896 17.400 1.00 0.00 H new ATOM 0 HD13 LEU A 31 27.369 25.333 17.188 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.859 23.780 16.444 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.129 23.217 17.556 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.432 23.253 18.089 1.00 0.00 H new ATOM 486 N ARG A 32 25.439 25.640 22.710 1.00 0.00 N ATOM 487 CA ARG A 32 25.927 25.663 24.107 1.00 0.00 C ATOM 488 C ARG A 32 24.982 24.931 25.063 1.00 0.00 C ATOM 489 O ARG A 32 25.441 24.277 26.002 1.00 0.00 O ATOM 490 CB ARG A 32 26.093 27.127 24.559 1.00 0.00 C ATOM 491 CG ARG A 32 27.027 27.344 25.767 1.00 0.00 C ATOM 492 CD ARG A 32 28.484 26.910 25.539 1.00 0.00 C ATOM 493 NE ARG A 32 29.032 27.400 24.259 1.00 0.00 N ATOM 494 CZ ARG A 32 30.119 26.945 23.666 1.00 0.00 C ATOM 495 NH1 ARG A 32 31.051 26.283 24.286 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 30.291 27.156 22.401 1.00 0.00 N ATOM 0 H ARG A 32 25.049 26.536 22.417 1.00 0.00 H new ATOM 0 HA ARG A 32 26.884 25.143 24.137 1.00 0.00 H new ATOM 0 HB2 ARG A 32 26.473 27.708 23.719 1.00 0.00 H new ATOM 0 HB3 ARG A 32 25.110 27.527 24.805 1.00 0.00 H new ATOM 0 HG2 ARG A 32 27.015 28.401 26.033 1.00 0.00 H new ATOM 0 HG3 ARG A 32 26.628 26.796 26.620 1.00 0.00 H new ATOM 0 HD2 ARG A 32 29.101 27.279 26.358 1.00 0.00 H new ATOM 0 HD3 ARG A 32 28.542 25.822 25.561 1.00 0.00 H new ATOM 0 HE ARG A 32 28.527 28.154 23.794 1.00 0.00 H new ATOM 0 HH11 ARG A 32 30.963 26.091 25.284 1.00 0.00 H new ATOM 0 HH12 ARG A 32 31.870 25.956 23.774 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.589 27.671 21.870 1.00 0.00 H new ATOM 0 HH22 ARG A 32 31.129 26.807 21.935 1.00 0.00 H new ATOM 510 N TYR A 33 23.683 25.039 24.797 1.00 0.00 N ATOM 511 CA TYR A 33 22.578 24.356 25.467 1.00 0.00 C ATOM 512 C TYR A 33 21.803 23.501 24.445 1.00 0.00 C ATOM 513 O TYR A 33 22.199 23.387 23.280 1.00 0.00 O ATOM 514 CB TYR A 33 21.667 25.418 26.126 1.00 0.00 C ATOM 515 CG TYR A 33 22.349 26.458 27.005 1.00 0.00 C ATOM 516 CD1 TYR A 33 23.421 26.108 27.850 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.892 27.791 26.976 1.00 0.00 C ATOM 518 CE1 TYR A 33 24.083 27.095 28.608 1.00 0.00 C ATOM 519 CE2 TYR A 33 22.540 28.778 27.746 1.00 0.00 C ATOM 520 CZ TYR A 33 23.652 28.437 28.546 1.00 0.00 C ATOM 521 OH TYR A 33 24.311 29.401 29.241 1.00 0.00 O ATOM 0 H TYR A 33 23.350 25.651 24.052 1.00 0.00 H new ATOM 0 HA TYR A 33 22.952 23.688 26.242 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.129 25.941 25.336 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.922 24.899 26.729 1.00 0.00 H new ATOM 0 HD1 TYR A 33 23.737 25.078 27.917 1.00 0.00 H new ATOM 0 HD2 TYR A 33 21.044 28.057 26.363 1.00 0.00 H new ATOM 0 HE1 TYR A 33 24.919 26.824 29.236 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.185 29.798 27.724 1.00 0.00 H new ATOM 0 HH TYR A 33 23.882 30.268 29.085 1.00 0.00 H new ATOM 531 N TYR A 34 20.685 22.910 24.867 1.00 0.00 N ATOM 532 CA TYR A 34 19.713 22.226 24.002 1.00 0.00 C ATOM 533 C TYR A 34 19.279 23.032 22.758 1.00 0.00 C ATOM 534 O TYR A 34 19.195 24.262 22.778 1.00 0.00 O ATOM 535 CB TYR A 34 18.506 21.786 24.850 1.00 0.00 C ATOM 536 CG TYR A 34 17.563 22.826 25.452 1.00 0.00 C ATOM 537 CD1 TYR A 34 17.917 24.184 25.616 1.00 0.00 C ATOM 538 CD2 TYR A 34 16.314 22.383 25.935 1.00 0.00 C ATOM 539 CE1 TYR A 34 17.050 25.077 26.269 1.00 0.00 C ATOM 540 CE2 TYR A 34 15.437 23.274 26.581 1.00 0.00 C ATOM 541 CZ TYR A 34 15.811 24.622 26.760 1.00 0.00 C ATOM 542 OH TYR A 34 15.010 25.475 27.443 1.00 0.00 O ATOM 0 H TYR A 34 20.419 22.891 25.851 1.00 0.00 H new ATOM 0 HA TYR A 34 20.216 21.353 23.586 1.00 0.00 H new ATOM 0 HB2 TYR A 34 17.902 21.124 24.230 1.00 0.00 H new ATOM 0 HB3 TYR A 34 18.893 21.187 25.674 1.00 0.00 H new ATOM 0 HD1 TYR A 34 18.863 24.539 25.236 1.00 0.00 H new ATOM 0 HD2 TYR A 34 16.028 21.349 25.808 1.00 0.00 H new ATOM 0 HE1 TYR A 34 17.334 26.111 26.394 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.479 22.926 26.939 1.00 0.00 H new ATOM 0 HH TYR A 34 14.191 25.009 27.714 1.00 0.00 H new ATOM 552 N GLN A 35 18.962 22.341 21.655 1.00 0.00 N ATOM 553 CA GLN A 35 18.633 22.988 20.374 1.00 0.00 C ATOM 554 C GLN A 35 17.357 23.850 20.430 1.00 0.00 C ATOM 555 O GLN A 35 17.176 24.745 19.605 1.00 0.00 O ATOM 556 CB GLN A 35 18.579 21.955 19.234 1.00 0.00 C ATOM 557 CG GLN A 35 17.338 21.039 19.212 1.00 0.00 C ATOM 558 CD GLN A 35 17.216 20.210 17.935 1.00 0.00 C ATOM 559 OE1 GLN A 35 18.061 20.229 17.051 1.00 0.00 O ATOM 560 NE2 GLN A 35 16.148 19.460 17.769 1.00 0.00 N ATOM 0 H GLN A 35 18.926 21.322 21.623 1.00 0.00 H new ATOM 0 HA GLN A 35 19.443 23.686 20.164 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.630 22.488 18.284 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.468 21.328 19.296 1.00 0.00 H new ATOM 0 HG2 GLN A 35 17.377 20.367 20.070 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.443 21.650 19.326 1.00 0.00 H new ATOM 0 HE21 GLN A 35 15.430 19.428 18.493 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.038 18.910 16.917 1.00 0.00 H new ATOM 569 N SER A 36 16.494 23.617 21.422 1.00 0.00 N ATOM 570 CA SER A 36 15.289 24.410 21.688 1.00 0.00 C ATOM 571 C SER A 36 15.568 25.814 22.259 1.00 0.00 C ATOM 572 O SER A 36 14.622 26.590 22.425 1.00 0.00 O ATOM 573 CB SER A 36 14.351 23.621 22.613 1.00 0.00 C ATOM 574 OG SER A 36 14.063 22.346 22.049 1.00 0.00 O ATOM 0 H SER A 36 16.617 22.849 22.082 1.00 0.00 H new ATOM 0 HA SER A 36 14.812 24.585 20.724 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.813 23.498 23.592 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.426 24.177 22.765 1.00 0.00 H new ATOM 0 HG SER A 36 13.466 21.851 22.648 1.00 0.00 H new ATOM 580 N ALA A 37 16.826 26.177 22.543 1.00 0.00 N ATOM 581 CA ALA A 37 17.173 27.514 23.040 1.00 0.00 C ATOM 582 C ALA A 37 16.995 28.634 21.985 1.00 0.00 C ATOM 583 O ALA A 37 17.144 28.401 20.781 1.00 0.00 O ATOM 584 CB ALA A 37 18.609 27.477 23.570 1.00 0.00 C ATOM 0 H ALA A 37 17.628 25.555 22.435 1.00 0.00 H new ATOM 0 HA ALA A 37 16.476 27.766 23.840 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.884 28.463 23.944 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.680 26.750 24.379 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.287 27.192 22.765 1.00 0.00 H new ATOM 590 N HIS A 38 16.740 29.865 22.447 1.00 0.00 N ATOM 591 CA HIS A 38 16.634 31.088 21.628 1.00 0.00 C ATOM 592 C HIS A 38 17.490 32.227 22.228 1.00 0.00 C ATOM 593 O HIS A 38 18.193 31.992 23.210 1.00 0.00 O ATOM 594 CB HIS A 38 15.145 31.440 21.469 1.00 0.00 C ATOM 595 CG HIS A 38 14.854 32.321 20.281 1.00 0.00 C ATOM 596 ND1 HIS A 38 14.892 33.715 20.269 1.00 0.00 N ATOM 597 CD2 HIS A 38 14.574 31.877 19.022 1.00 0.00 C ATOM 598 CE1 HIS A 38 14.603 34.080 19.010 1.00 0.00 C ATOM 599 NE2 HIS A 38 14.417 32.997 18.238 1.00 0.00 N ATOM 0 H HIS A 38 16.596 30.048 23.440 1.00 0.00 H new ATOM 0 HA HIS A 38 17.041 30.925 20.630 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.571 30.518 21.376 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.800 31.940 22.374 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.492 30.848 18.703 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.530 35.101 18.666 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.197 33.003 17.242 1.00 0.00 H new ATOM 607 N GLY A 39 17.497 33.435 21.650 1.00 0.00 N ATOM 608 CA GLY A 39 18.293 34.569 22.143 1.00 0.00 C ATOM 609 C GLY A 39 18.412 35.775 21.198 1.00 0.00 C ATOM 610 O GLY A 39 17.798 35.814 20.128 1.00 0.00 O ATOM 0 H GLY A 39 16.946 33.656 20.820 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.858 34.911 23.082 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.297 34.210 22.369 1.00 0.00 H new ATOM 614 N TYR A 40 19.200 36.774 21.615 1.00 0.00 N ATOM 615 CA TYR A 40 19.637 37.941 20.829 1.00 0.00 C ATOM 616 C TYR A 40 20.846 38.658 21.465 1.00 0.00 C ATOM 617 O TYR A 40 21.266 38.348 22.575 1.00 0.00 O ATOM 618 CB TYR A 40 18.479 38.930 20.633 1.00 0.00 C ATOM 619 CG TYR A 40 17.897 39.528 21.899 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.338 40.787 22.350 1.00 0.00 C ATOM 621 CD2 TYR A 40 16.868 38.856 22.588 1.00 0.00 C ATOM 622 CE1 TYR A 40 17.761 41.367 23.496 1.00 0.00 C ATOM 623 CE2 TYR A 40 16.284 39.435 23.728 1.00 0.00 C ATOM 624 CZ TYR A 40 16.735 40.690 24.187 1.00 0.00 C ATOM 625 OH TYR A 40 16.175 41.259 25.282 1.00 0.00 O ATOM 0 H TYR A 40 19.573 36.793 22.564 1.00 0.00 H new ATOM 0 HA TYR A 40 19.955 37.564 19.857 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.826 39.744 19.996 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.680 38.421 20.094 1.00 0.00 H new ATOM 0 HD1 TYR A 40 19.119 41.308 21.817 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.527 37.893 22.239 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.104 42.330 23.845 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.492 38.920 24.251 1.00 0.00 H new ATOM 0 HH TYR A 40 15.483 40.665 25.641 1.00 0.00 H new ATOM 635 N CYS A 41 21.434 39.618 20.754 1.00 0.00 N ATOM 636 CA CYS A 41 22.585 40.399 21.211 1.00 0.00 C ATOM 637 C CYS A 41 22.188 41.645 22.028 1.00 0.00 C ATOM 638 O CYS A 41 21.468 42.518 21.538 1.00 0.00 O ATOM 639 CB CYS A 41 23.432 40.751 19.988 1.00 0.00 C ATOM 640 SG CYS A 41 24.295 39.315 19.298 1.00 0.00 S ATOM 0 H CYS A 41 21.117 39.882 19.821 1.00 0.00 H new ATOM 0 HA CYS A 41 23.169 39.796 21.906 1.00 0.00 H new ATOM 0 HB2 CYS A 41 22.792 41.188 19.221 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.163 41.511 20.264 1.00 0.00 H new ATOM 645 N TYR A 42 22.718 41.752 23.250 1.00 0.00 N ATOM 646 CA TYR A 42 22.510 42.830 24.236 1.00 0.00 C ATOM 647 C TYR A 42 23.813 43.041 25.028 1.00 0.00 C ATOM 648 O TYR A 42 24.532 42.070 25.266 1.00 0.00 O ATOM 649 CB TYR A 42 21.318 42.457 25.148 1.00 0.00 C ATOM 650 CG TYR A 42 21.339 43.039 26.555 1.00 0.00 C ATOM 651 CD1 TYR A 42 21.606 42.205 27.660 1.00 0.00 C ATOM 652 CD2 TYR A 42 21.107 44.411 26.765 1.00 0.00 C ATOM 653 CE1 TYR A 42 21.672 42.743 28.960 1.00 0.00 C ATOM 654 CE2 TYR A 42 21.207 44.960 28.059 1.00 0.00 C ATOM 655 CZ TYR A 42 21.498 44.128 29.159 1.00 0.00 C ATOM 656 OH TYR A 42 21.602 44.662 30.407 1.00 0.00 O ATOM 0 H TYR A 42 23.351 41.037 23.608 1.00 0.00 H new ATOM 0 HA TYR A 42 22.266 43.772 23.744 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.399 42.778 24.658 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.274 41.371 25.227 1.00 0.00 H new ATOM 0 HD1 TYR A 42 21.761 41.147 27.509 1.00 0.00 H new ATOM 0 HD2 TYR A 42 20.851 45.046 25.930 1.00 0.00 H new ATOM 0 HE1 TYR A 42 21.856 42.095 29.804 1.00 0.00 H new ATOM 0 HE2 TYR A 42 21.060 46.020 28.208 1.00 0.00 H new ATOM 0 HH TYR A 42 21.455 45.630 30.362 1.00 0.00 H new ATOM 666 N ALA A 43 24.178 44.274 25.401 1.00 0.00 N ATOM 667 CA ALA A 43 25.452 44.565 26.093 1.00 0.00 C ATOM 668 C ALA A 43 26.701 44.044 25.327 1.00 0.00 C ATOM 669 O ALA A 43 27.670 43.548 25.916 1.00 0.00 O ATOM 670 CB ALA A 43 25.353 44.084 27.552 1.00 0.00 C ATOM 0 H ALA A 43 23.604 45.100 25.235 1.00 0.00 H new ATOM 0 HA ALA A 43 25.609 45.644 26.109 1.00 0.00 H new ATOM 0 HB1 ALA A 43 26.289 44.295 28.069 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.537 44.605 28.052 1.00 0.00 H new ATOM 0 HB3 ALA A 43 25.163 43.011 27.569 1.00 0.00 H new ATOM 676 N PHE A 44 26.632 44.078 23.988 1.00 0.00 N ATOM 677 CA PHE A 44 27.585 43.466 23.045 1.00 0.00 C ATOM 678 C PHE A 44 27.911 41.986 23.346 1.00 0.00 C ATOM 679 O PHE A 44 29.034 41.532 23.114 1.00 0.00 O ATOM 680 CB PHE A 44 28.824 44.364 22.851 1.00 0.00 C ATOM 681 CG PHE A 44 28.544 45.636 22.075 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.450 45.587 20.669 1.00 0.00 C ATOM 683 CD2 PHE A 44 28.392 46.866 22.739 1.00 0.00 C ATOM 684 CE1 PHE A 44 28.209 46.763 19.936 1.00 0.00 C ATOM 685 CE2 PHE A 44 28.154 48.040 22.001 1.00 0.00 C ATOM 686 CZ PHE A 44 28.061 47.990 20.601 1.00 0.00 C ATOM 0 H PHE A 44 25.871 44.558 23.507 1.00 0.00 H new ATOM 0 HA PHE A 44 27.084 43.412 22.079 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.226 44.628 23.829 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.595 43.795 22.332 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.563 44.645 20.154 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.458 46.910 23.816 1.00 0.00 H new ATOM 0 HE1 PHE A 44 28.138 46.722 18.859 1.00 0.00 H new ATOM 0 HE2 PHE A 44 28.042 48.984 22.514 1.00 0.00 H new ATOM 0 HZ PHE A 44 27.876 48.893 20.038 1.00 0.00 H new ATOM 696 N ALA A 45 26.947 41.221 23.862 1.00 0.00 N ATOM 697 CA ALA A 45 27.081 39.800 24.185 1.00 0.00 C ATOM 698 C ALA A 45 25.769 39.029 23.958 1.00 0.00 C ATOM 699 O ALA A 45 24.686 39.611 23.874 1.00 0.00 O ATOM 700 CB ALA A 45 27.580 39.674 25.629 1.00 0.00 C ATOM 0 H ALA A 45 26.019 41.587 24.074 1.00 0.00 H new ATOM 0 HA ALA A 45 27.807 39.345 23.512 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.686 38.620 25.887 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.546 40.170 25.725 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.864 40.143 26.304 1.00 0.00 H new ATOM 706 N CYS A 46 25.858 37.707 23.833 1.00 0.00 N ATOM 707 CA CYS A 46 24.695 36.858 23.577 1.00 0.00 C ATOM 708 C CYS A 46 23.821 36.669 24.837 1.00 0.00 C ATOM 709 O CYS A 46 24.252 36.092 25.837 1.00 0.00 O ATOM 710 CB CYS A 46 25.196 35.554 22.950 1.00 0.00 C ATOM 711 SG CYS A 46 23.962 34.268 22.630 1.00 0.00 S ATOM 0 H CYS A 46 26.736 37.194 23.906 1.00 0.00 H new ATOM 0 HA CYS A 46 24.018 37.337 22.870 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.684 35.798 22.006 1.00 0.00 H new ATOM 0 HB3 CYS A 46 25.960 35.135 23.605 1.00 0.00 H new ATOM 716 N TRP A 47 22.589 37.179 24.777 1.00 0.00 N ATOM 717 CA TRP A 47 21.523 37.018 25.766 1.00 0.00 C ATOM 718 C TRP A 47 20.548 35.930 25.292 1.00 0.00 C ATOM 719 O TRP A 47 19.785 36.139 24.348 1.00 0.00 O ATOM 720 CB TRP A 47 20.815 38.371 25.938 1.00 0.00 C ATOM 721 CG TRP A 47 19.758 38.416 26.996 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.425 38.332 26.786 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.935 38.520 28.440 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.760 38.384 27.997 1.00 0.00 N ATOM 725 CE2 TRP A 47 18.647 38.483 29.052 1.00 0.00 C ATOM 726 CE3 TRP A 47 21.056 38.641 29.292 1.00 0.00 C ATOM 727 CZ2 TRP A 47 18.486 38.549 30.443 1.00 0.00 C ATOM 728 CZ3 TRP A 47 20.900 38.713 30.691 1.00 0.00 C ATOM 729 CH2 TRP A 47 19.618 38.662 31.267 1.00 0.00 C ATOM 0 H TRP A 47 22.291 37.751 23.987 1.00 0.00 H new ATOM 0 HA TRP A 47 21.928 36.707 26.729 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.566 39.127 26.167 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.363 38.648 24.986 1.00 0.00 H new ATOM 0 HD1 TRP A 47 17.952 38.239 25.820 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.746 38.353 28.099 1.00 0.00 H new ATOM 0 HE3 TRP A 47 22.047 38.679 28.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 17.498 38.513 30.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.770 38.808 31.324 1.00 0.00 H new ATOM 0 HH2 TRP A 47 19.504 38.710 32.340 1.00 0.00 H new ATOM 740 N CYS A 48 20.591 34.751 25.907 1.00 0.00 N ATOM 741 CA CYS A 48 19.716 33.635 25.553 1.00 0.00 C ATOM 742 C CYS A 48 18.346 33.744 26.247 1.00 0.00 C ATOM 743 O CYS A 48 18.229 34.214 27.381 1.00 0.00 O ATOM 744 CB CYS A 48 20.413 32.301 25.841 1.00 0.00 C ATOM 745 SG CYS A 48 21.949 32.002 24.923 1.00 0.00 S ATOM 0 H CYS A 48 21.236 34.541 26.668 1.00 0.00 H new ATOM 0 HA CYS A 48 19.517 33.679 24.482 1.00 0.00 H new ATOM 0 HB2 CYS A 48 20.633 32.250 26.907 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.716 31.493 25.620 1.00 0.00 H new ATOM 750 N THR A 49 17.297 33.276 25.575 1.00 0.00 N ATOM 751 CA THR A 49 15.889 33.378 25.992 1.00 0.00 C ATOM 752 C THR A 49 15.151 32.051 25.784 1.00 0.00 C ATOM 753 O THR A 49 15.677 31.125 25.158 1.00 0.00 O ATOM 754 CB THR A 49 15.175 34.547 25.274 1.00 0.00 C ATOM 755 OG1 THR A 49 15.058 34.336 23.883 1.00 0.00 O ATOM 756 CG2 THR A 49 15.876 35.893 25.459 1.00 0.00 C ATOM 0 H THR A 49 17.404 32.792 24.683 1.00 0.00 H new ATOM 0 HA THR A 49 15.873 33.595 27.060 1.00 0.00 H new ATOM 0 HB THR A 49 14.192 34.576 25.744 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.270 33.782 23.701 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.322 36.668 24.929 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.918 36.138 26.520 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.888 35.834 25.060 1.00 0.00 H new ATOM 764 N HIS A 50 13.926 31.948 26.318 1.00 0.00 N ATOM 765 CA HIS A 50 13.038 30.775 26.197 1.00 0.00 C ATOM 766 C HIS A 50 13.591 29.499 26.866 1.00 0.00 C ATOM 767 O HIS A 50 13.214 28.383 26.500 1.00 0.00 O ATOM 768 CB HIS A 50 12.615 30.574 24.724 1.00 0.00 C ATOM 769 CG HIS A 50 11.968 31.776 24.069 1.00 0.00 C ATOM 770 ND1 HIS A 50 12.538 33.043 23.905 1.00 0.00 N ATOM 771 CD2 HIS A 50 10.739 31.782 23.484 1.00 0.00 C ATOM 772 CE1 HIS A 50 11.640 33.780 23.231 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.546 33.049 22.976 1.00 0.00 N ATOM 0 H HIS A 50 13.509 32.701 26.865 1.00 0.00 H new ATOM 0 HA HIS A 50 12.137 30.988 26.772 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.495 30.295 24.145 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.921 29.735 24.673 1.00 0.00 H new ATOM 0 HD2 HIS A 50 10.048 30.954 23.428 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.779 34.810 22.938 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.712 33.375 22.488 1.00 0.00 H new ATOM 781 N LEU A 51 14.499 29.674 27.834 1.00 0.00 N ATOM 782 CA LEU A 51 15.235 28.611 28.525 1.00 0.00 C ATOM 783 C LEU A 51 14.451 27.972 29.688 1.00 0.00 C ATOM 784 O LEU A 51 13.476 28.537 30.195 1.00 0.00 O ATOM 785 CB LEU A 51 16.580 29.158 29.052 1.00 0.00 C ATOM 786 CG LEU A 51 17.465 29.899 28.033 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.731 30.385 28.737 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.881 29.007 26.864 1.00 0.00 C ATOM 0 H LEU A 51 14.751 30.603 28.171 1.00 0.00 H new ATOM 0 HA LEU A 51 15.400 27.826 27.787 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.372 29.836 29.880 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.152 28.324 29.458 1.00 0.00 H new ATOM 0 HG LEU A 51 16.881 30.729 27.636 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.365 30.911 28.023 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.460 31.060 29.548 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.273 29.530 29.142 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.503 29.577 26.175 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.445 28.153 27.240 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.992 28.653 26.342 1.00 0.00 H new ATOM 800 N TYR A 52 14.944 26.823 30.158 1.00 0.00 N ATOM 801 CA TYR A 52 14.519 26.139 31.384 1.00 0.00 C ATOM 802 C TYR A 52 14.721 26.979 32.658 1.00 0.00 C ATOM 803 O TYR A 52 15.528 27.912 32.709 1.00 0.00 O ATOM 804 CB TYR A 52 15.271 24.797 31.508 1.00 0.00 C ATOM 805 CG TYR A 52 16.720 24.779 31.033 1.00 0.00 C ATOM 806 CD1 TYR A 52 17.070 24.023 29.897 1.00 0.00 C ATOM 807 CD2 TYR A 52 17.714 25.519 31.703 1.00 0.00 C ATOM 808 CE1 TYR A 52 18.399 24.010 29.433 1.00 0.00 C ATOM 809 CE2 TYR A 52 19.049 25.493 31.254 1.00 0.00 C ATOM 810 CZ TYR A 52 19.397 24.739 30.112 1.00 0.00 C ATOM 811 OH TYR A 52 20.690 24.689 29.696 1.00 0.00 O ATOM 0 H TYR A 52 15.686 26.320 29.671 1.00 0.00 H new ATOM 0 HA TYR A 52 13.445 25.971 31.299 1.00 0.00 H new ATOM 0 HB2 TYR A 52 15.252 24.491 32.554 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.719 24.044 30.946 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.315 23.450 29.379 1.00 0.00 H new ATOM 0 HD2 TYR A 52 17.451 26.111 32.567 1.00 0.00 H new ATOM 0 HE1 TYR A 52 18.655 23.439 28.553 1.00 0.00 H new ATOM 0 HE2 TYR A 52 19.807 26.050 31.784 1.00 0.00 H new ATOM 0 HH TYR A 52 20.805 25.271 28.916 1.00 0.00 H new ATOM 821 N GLU A 53 14.053 26.580 33.744 1.00 0.00 N ATOM 822 CA GLU A 53 14.127 27.237 35.056 1.00 0.00 C ATOM 823 C GLU A 53 15.538 27.230 35.687 1.00 0.00 C ATOM 824 O GLU A 53 15.800 27.978 36.628 1.00 0.00 O ATOM 825 CB GLU A 53 13.071 26.613 35.993 1.00 0.00 C ATOM 826 CG GLU A 53 13.377 25.228 36.595 1.00 0.00 C ATOM 827 CD GLU A 53 13.326 24.037 35.624 1.00 0.00 C ATOM 828 OE1 GLU A 53 12.621 24.085 34.585 1.00 0.00 O ATOM 829 OE2 GLU A 53 13.970 23.006 35.928 1.00 0.00 O1- ATOM 0 H GLU A 53 13.430 25.772 33.737 1.00 0.00 H new ATOM 0 HA GLU A 53 13.907 28.294 34.905 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.902 27.307 36.817 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.134 26.539 35.441 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.370 25.262 37.043 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.669 25.042 37.402 1.00 0.00 H new ATOM 836 N GLN A 54 16.459 26.411 35.168 1.00 0.00 N ATOM 837 CA GLN A 54 17.832 26.254 35.676 1.00 0.00 C ATOM 838 C GLN A 54 18.877 27.184 35.015 1.00 0.00 C ATOM 839 O GLN A 54 20.072 27.021 35.267 1.00 0.00 O ATOM 840 CB GLN A 54 18.250 24.779 35.551 1.00 0.00 C ATOM 841 CG GLN A 54 17.374 23.816 36.367 1.00 0.00 C ATOM 842 CD GLN A 54 17.518 22.388 35.859 1.00 0.00 C ATOM 843 OE1 GLN A 54 18.596 21.799 35.884 1.00 0.00 O ATOM 844 NE2 GLN A 54 16.456 21.787 35.380 1.00 0.00 N ATOM 0 H GLN A 54 16.267 25.820 34.359 1.00 0.00 H new ATOM 0 HA GLN A 54 17.814 26.562 36.722 1.00 0.00 H new ATOM 0 HB2 GLN A 54 18.213 24.488 34.501 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.286 24.676 35.874 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.657 23.863 37.418 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.331 24.125 36.304 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.560 22.274 35.359 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.525 20.832 35.029 1.00 0.00 H new ATOM 853 N ALA A 55 18.465 28.118 34.146 1.00 0.00 N ATOM 854 CA ALA A 55 19.373 29.051 33.463 1.00 0.00 C ATOM 855 C ALA A 55 19.890 30.191 34.372 1.00 0.00 C ATOM 856 O ALA A 55 19.247 30.541 35.367 1.00 0.00 O ATOM 857 CB ALA A 55 18.676 29.598 32.214 1.00 0.00 C ATOM 0 H ALA A 55 17.485 28.248 33.895 1.00 0.00 H new ATOM 0 HA ALA A 55 20.266 28.495 33.177 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.342 30.291 31.700 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.426 28.773 31.547 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.764 30.119 32.505 1.00 0.00 H new ATOM 863 N VAL A 56 21.029 30.794 34.001 1.00 0.00 N ATOM 864 CA VAL A 56 21.800 31.748 34.831 1.00 0.00 C ATOM 865 C VAL A 56 22.081 33.080 34.105 1.00 0.00 C ATOM 866 O VAL A 56 22.278 33.119 32.887 1.00 0.00 O ATOM 867 CB VAL A 56 23.114 31.089 35.315 1.00 0.00 C ATOM 868 CG1 VAL A 56 23.901 31.961 36.305 1.00 0.00 C ATOM 869 CG2 VAL A 56 22.881 29.723 35.985 1.00 0.00 C ATOM 0 H VAL A 56 21.457 30.631 33.090 1.00 0.00 H new ATOM 0 HA VAL A 56 21.185 31.997 35.696 1.00 0.00 H new ATOM 0 HB VAL A 56 23.695 30.963 34.402 1.00 0.00 H new ATOM 0 HG11 VAL A 56 24.811 31.441 36.605 1.00 0.00 H new ATOM 0 HG12 VAL A 56 24.163 32.906 35.829 1.00 0.00 H new ATOM 0 HG13 VAL A 56 23.288 32.156 37.185 1.00 0.00 H new ATOM 0 HG21 VAL A 56 23.836 29.307 36.305 1.00 0.00 H new ATOM 0 HG22 VAL A 56 22.232 29.849 36.851 1.00 0.00 H new ATOM 0 HG23 VAL A 56 22.410 29.045 35.274 1.00 0.00 H new ATOM 879 N VAL A 57 22.109 34.190 34.851 1.00 0.00 N ATOM 880 CA VAL A 57 22.463 35.544 34.361 1.00 0.00 C ATOM 881 C VAL A 57 23.995 35.773 34.251 1.00 0.00 C ATOM 882 O VAL A 57 24.745 34.827 34.000 1.00 0.00 O ATOM 883 CB VAL A 57 21.720 36.625 35.178 1.00 0.00 C ATOM 884 CG1 VAL A 57 20.200 36.436 35.109 1.00 0.00 C ATOM 885 CG2 VAL A 57 22.163 36.700 36.644 1.00 0.00 C ATOM 0 H VAL A 57 21.880 34.180 35.845 1.00 0.00 H new ATOM 0 HA VAL A 57 22.114 35.630 33.332 1.00 0.00 H new ATOM 0 HB VAL A 57 21.991 37.571 34.710 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.710 37.214 35.695 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.872 36.502 34.072 1.00 0.00 H new ATOM 0 HG13 VAL A 57 19.936 35.458 35.512 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.599 37.480 37.155 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.978 35.742 37.129 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.227 36.931 36.691 1.00 0.00 H new ATOM 895 N TRP A 58 24.466 37.028 34.324 1.00 0.00 N ATOM 896 CA TRP A 58 25.852 37.446 34.047 1.00 0.00 C ATOM 897 C TRP A 58 26.926 36.833 34.978 1.00 0.00 C ATOM 898 O TRP A 58 26.720 36.797 36.199 1.00 0.00 O ATOM 899 CB TRP A 58 25.969 38.980 34.154 1.00 0.00 C ATOM 900 CG TRP A 58 24.949 39.799 33.426 1.00 0.00 C ATOM 901 CD1 TRP A 58 25.106 40.337 32.196 1.00 0.00 C ATOM 902 CD2 TRP A 58 23.618 40.212 33.870 1.00 0.00 C ATOM 903 NE1 TRP A 58 23.958 41.011 31.830 1.00 0.00 N ATOM 904 CE2 TRP A 58 23.000 40.955 32.820 1.00 0.00 C ATOM 905 CE3 TRP A 58 22.878 40.043 35.062 1.00 0.00 C ATOM 906 CZ2 TRP A 58 21.696 41.461 32.925 1.00 0.00 C ATOM 907 CZ3 TRP A 58 21.565 40.543 35.176 1.00 0.00 C ATOM 908 CH2 TRP A 58 20.971 41.241 34.109 1.00 0.00 C ATOM 0 H TRP A 58 23.869 37.812 34.588 1.00 0.00 H new ATOM 0 HA TRP A 58 26.052 37.077 33.041 1.00 0.00 H new ATOM 0 HB2 TRP A 58 25.926 39.249 35.210 1.00 0.00 H new ATOM 0 HB3 TRP A 58 26.955 39.269 33.791 1.00 0.00 H new ATOM 0 HD1 TRP A 58 25.996 40.252 31.590 1.00 0.00 H new ATOM 0 HE1 TRP A 58 23.834 41.491 30.938 1.00 0.00 H new ATOM 0 HE3 TRP A 58 23.325 39.524 35.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 21.255 42.012 32.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 21.011 40.389 36.090 1.00 0.00 H new ATOM 0 HH2 TRP A 58 19.959 41.607 34.199 1.00 0.00 H new ATOM 919 N PRO A 59 28.115 36.455 34.458 1.00 0.00 N ATOM 920 CA PRO A 59 29.277 36.093 35.276 1.00 0.00 C ATOM 921 C PRO A 59 29.822 37.308 36.047 1.00 0.00 C ATOM 922 O PRO A 59 29.521 38.465 35.721 1.00 0.00 O ATOM 923 CB PRO A 59 30.314 35.545 34.291 1.00 0.00 C ATOM 924 CG PRO A 59 30.014 36.326 33.013 1.00 0.00 C ATOM 925 CD PRO A 59 28.493 36.458 33.049 1.00 0.00 C ATOM 0 HA PRO A 59 29.018 35.356 36.036 1.00 0.00 H new ATOM 0 HB2 PRO A 59 31.333 35.716 34.640 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.204 34.471 34.144 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.505 37.299 33.009 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.353 35.794 32.124 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.171 37.378 32.562 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.018 35.633 32.517 1.00 0.00 H new ATOM 933 N LEU A 60 30.610 37.069 37.093 1.00 0.00 N ATOM 934 CA LEU A 60 31.194 38.122 37.933 1.00 0.00 C ATOM 935 C LEU A 60 32.228 38.973 37.170 1.00 0.00 C ATOM 936 O LEU A 60 32.932 38.447 36.305 1.00 0.00 O ATOM 937 CB LEU A 60 31.838 37.480 39.179 1.00 0.00 C ATOM 938 CG LEU A 60 30.913 37.495 40.411 1.00 0.00 C ATOM 939 CD1 LEU A 60 29.652 36.650 40.223 1.00 0.00 C ATOM 940 CD2 LEU A 60 31.659 36.970 41.635 1.00 0.00 C ATOM 0 H LEU A 60 30.867 36.127 37.388 1.00 0.00 H new ATOM 0 HA LEU A 60 30.393 38.797 38.234 1.00 0.00 H new ATOM 0 HB2 LEU A 60 32.112 36.450 38.950 1.00 0.00 H new ATOM 0 HB3 LEU A 60 32.760 38.009 39.418 1.00 0.00 H new ATOM 0 HG LEU A 60 30.610 38.533 40.549 1.00 0.00 H new ATOM 0 HD11 LEU A 60 29.042 36.701 41.125 1.00 0.00 H new ATOM 0 HD12 LEU A 60 29.081 37.032 39.377 1.00 0.00 H new ATOM 0 HD13 LEU A 60 29.933 35.614 40.034 1.00 0.00 H new ATOM 0 HD21 LEU A 60 30.996 36.985 42.500 1.00 0.00 H new ATOM 0 HD22 LEU A 60 31.989 35.948 41.449 1.00 0.00 H new ATOM 0 HD23 LEU A 60 32.526 37.601 41.831 1.00 0.00 H new ATOM 952 N PRO A 61 32.428 40.255 37.546 1.00 0.00 N ATOM 953 CA PRO A 61 33.467 41.113 36.963 1.00 0.00 C ATOM 954 C PRO A 61 34.889 40.567 37.176 1.00 0.00 C ATOM 955 O PRO A 61 35.799 40.951 36.442 1.00 0.00 O ATOM 956 CB PRO A 61 33.277 42.485 37.616 1.00 0.00 C ATOM 957 CG PRO A 61 32.621 42.161 38.955 1.00 0.00 C ATOM 958 CD PRO A 61 31.733 40.970 38.607 1.00 0.00 C ATOM 0 HA PRO A 61 33.362 41.162 35.879 1.00 0.00 H new ATOM 0 HB2 PRO A 61 34.228 43.000 37.750 1.00 0.00 H new ATOM 0 HB3 PRO A 61 32.647 43.134 37.008 1.00 0.00 H new ATOM 0 HG2 PRO A 61 33.358 41.909 39.718 1.00 0.00 H new ATOM 0 HG3 PRO A 61 32.042 43.001 39.337 1.00 0.00 H new ATOM 0 HD2 PRO A 61 31.580 40.329 39.475 1.00 0.00 H new ATOM 0 HD3 PRO A 61 30.748 41.300 38.277 1.00 0.00 H new ATOM 966 N ASN A 62 35.072 39.641 38.126 1.00 0.00 N ATOM 967 CA ASN A 62 36.275 38.829 38.328 1.00 0.00 C ATOM 968 C ASN A 62 36.703 38.060 37.064 1.00 0.00 C ATOM 969 O ASN A 62 37.895 37.834 36.839 1.00 0.00 O ATOM 970 CB ASN A 62 35.955 37.794 39.420 1.00 0.00 C ATOM 971 CG ASN A 62 35.737 38.386 40.798 1.00 0.00 C ATOM 972 OD1 ASN A 62 34.752 39.068 41.055 1.00 0.00 O ATOM 973 ND2 ASN A 62 36.637 38.133 41.718 1.00 0.00 N ATOM 0 H ASN A 62 34.345 39.428 38.810 1.00 0.00 H new ATOM 0 HA ASN A 62 37.090 39.500 38.598 1.00 0.00 H new ATOM 0 HB2 ASN A 62 35.061 37.242 39.130 1.00 0.00 H new ATOM 0 HB3 ASN A 62 36.772 37.074 39.472 1.00 0.00 H new ATOM 0 HD21 ASN A 62 36.521 38.505 42.661 1.00 0.00 H new ATOM 0 HD22 ASN A 62 37.452 37.564 41.491 1.00 0.00 H new ATOM 980 N LYS A 63 35.733 37.637 36.246 1.00 0.00 N ATOM 981 CA LYS A 63 35.950 36.876 35.006 1.00 0.00 C ATOM 982 C LYS A 63 36.345 37.793 33.831 1.00 0.00 C ATOM 983 O LYS A 63 35.556 38.041 32.914 1.00 0.00 O ATOM 984 CB LYS A 63 34.721 35.996 34.704 1.00 0.00 C ATOM 985 CG LYS A 63 34.256 35.079 35.852 1.00 0.00 C ATOM 986 CD LYS A 63 35.310 34.056 36.305 1.00 0.00 C ATOM 987 CE LYS A 63 34.650 33.015 37.218 1.00 0.00 C ATOM 988 NZ LYS A 63 35.547 31.864 37.464 1.00 0.00 N1+ ATOM 0 H LYS A 63 34.747 37.819 36.432 1.00 0.00 H new ATOM 0 HA LYS A 63 36.800 36.208 35.148 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.892 36.646 34.424 1.00 0.00 H new ATOM 0 HB3 LYS A 63 34.946 35.375 33.837 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.975 35.697 36.705 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.360 34.545 35.536 1.00 0.00 H new ATOM 0 HD2 LYS A 63 35.754 33.566 35.438 1.00 0.00 H new ATOM 0 HD3 LYS A 63 36.118 34.560 36.835 1.00 0.00 H new ATOM 0 HE2 LYS A 63 34.383 33.479 38.167 1.00 0.00 H new ATOM 0 HE3 LYS A 63 33.724 32.665 36.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 35.070 31.179 38.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 35.782 31.407 36.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 36.420 32.196 37.921 1.00 0.00 H new ATOM 1002 N ARG A 64 37.576 38.321 33.875 1.00 0.00 N ATOM 1003 CA ARG A 64 38.163 39.302 32.928 1.00 0.00 C ATOM 1004 C ARG A 64 38.320 38.812 31.476 1.00 0.00 C ATOM 1005 O ARG A 64 38.658 39.610 30.602 1.00 0.00 O ATOM 1006 CB ARG A 64 39.542 39.758 33.452 1.00 0.00 C ATOM 1007 CG ARG A 64 39.559 40.331 34.880 1.00 0.00 C ATOM 1008 CD ARG A 64 38.685 41.580 35.077 1.00 0.00 C ATOM 1009 NE ARG A 64 39.171 42.758 34.332 1.00 0.00 N ATOM 1010 CZ ARG A 64 40.283 43.435 34.557 1.00 0.00 C ATOM 1011 NH1 ARG A 64 41.075 43.157 35.554 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 40.645 44.415 33.784 1.00 0.00 N ATOM 0 H ARG A 64 38.233 38.066 34.612 1.00 0.00 H new ATOM 0 HA ARG A 64 37.445 40.121 32.886 1.00 0.00 H new ATOM 0 HB2 ARG A 64 40.224 38.908 33.413 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.936 40.514 32.773 1.00 0.00 H new ATOM 0 HG2 ARG A 64 39.226 39.557 35.572 1.00 0.00 H new ATOM 0 HG3 ARG A 64 40.587 40.577 35.147 1.00 0.00 H new ATOM 0 HD2 ARG A 64 37.666 41.355 34.762 1.00 0.00 H new ATOM 0 HD3 ARG A 64 38.644 41.822 36.139 1.00 0.00 H new ATOM 0 HE ARG A 64 38.587 43.084 33.562 1.00 0.00 H new ATOM 0 HH11 ARG A 64 40.844 42.395 36.191 1.00 0.00 H new ATOM 0 HH12 ARG A 64 41.926 43.701 35.697 1.00 0.00 H new ATOM 0 HH21 ARG A 64 40.067 44.675 32.985 1.00 0.00 H new ATOM 0 HH22 ARG A 64 41.508 44.924 33.976 1.00 0.00 H new